N-[3-(4,5-dihydroxypent-1-enyl)phenyl]benzenesulfonamide

C17H19NO4S — CID 146319188

IUPACN-[3-(4,5-dihydroxypent-1-enyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(C=CCC(O)CO)c1)c1ccccc1
InChIInChI=1S/C17H19NO4S/c19-13-16(20)9-5-7-14-6-4-8-15(12-14)18-23(21,22)17-10-2-1-3-11-17/h1-8,10-12,16,18-20H,9,13H2
InChIKeyNKDRBXVTZQPWBS-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.24
Rot. Bonds7

About N-[3-(4,5-dihydroxypent-1-enyl)phenyl]benzenesulfonamide

N-[3-(4,5-dihydroxypent-1-enyl)phenyl]benzenesulfonamide (PubChem CID 146319188) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[3-(4,5-dihydroxypent-1-enyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4,5-dihydroxypent-1-enyl)phenyl]benzenesulfonamide
PubChem CID146319188
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC NameN-[3-(4,5-dihydroxypent-1-enyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(C=CCC(O)CO)c1)c1ccccc1
InChIInChI=1S/C17H19NO4S/c19-13-16(20)9-5-7-14-6-4-8-15(12-14)18-23(21,22)17-10-2-1-3-11-17/h1-8,10-12,16,18-20H,9,13H2
InChIKeyNKDRBXVTZQPWBS-UHFFFAOYSA-N
XLogP2.24
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(E)-3-hydroxy-4-phenoxybut-1-enyl]phenyl]benzenesulfonamide
CID 175145699
(E)-N-methyl-4-[3-(phenylsulfamoyl)phenyl]but-3-enamide
CID 59571949
3-[2-[(E)-4-[3-(benzenesulfonamido)phenyl]-2-hydroxybut-3-enoxy]phenyl]propanoic acid
CID 146319030
N-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide
CID 174636480
propan-2-yl 3-[2-[(Z)-5-[3-(benzenesulfonamido)phenyl]pent-4-enoxy]phenyl]propanoate
CID 146319063
N-[3-[(E)-pent-3-enyl]phenyl]benzenesulfonamide
CID 141178655
N-(3-benzylphenyl)benzenesulfonamide
CID 3258853
3-formyl-N-phenylbenzenesulfonamide
CID 22601475
methyl 3-[2-[(E,3R)-5-[3-(benzenesulfonamido)phenyl]-3-hydroxypent-4-enoxy]phenyl]propanoate
CID 153399412
N-[3-(chloromethyl)phenyl]benzenesulfonamide
CID 65033363
N-[3-[2-hydroxy-1-(methylamino)ethyl]phenyl]-4-phenylbenzenesulfonamide
CID 67358765
3-[(E)-4-hydroxy-3-oxobut-1-enyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 159858709

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dihydroxypent-1-enyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[3-(4,5-dihydroxypent-1-enyl)phenyl]benzenesulfonamide (CID 146319188) is N-[3-(4,5-dihydroxypent-1-enyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(4,5-dihydroxypent-1-enyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-(4,5-dihydroxypent-1-enyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(C=CCC(O)CO)c1)c1ccccc1.
What is the InChIKey of N-[3-(4,5-dihydroxypent-1-enyl)phenyl]benzenesulfonamide?
The InChIKey is NKDRBXVTZQPWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c19-13-16(20)9-5-7-14-6-4-8-15(12-14)18-23(21,22)17-10-2-1-3-11-17/h1-8,10-12,16,18-20H,9,13H2.
What are the key properties of N-[3-(4,5-dihydroxypent-1-enyl)phenyl]benzenesulfonamide?
N-[3-(4,5-dihydroxypent-1-enyl)phenyl]benzenesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dihydroxypent-1-enyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 146319188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).